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Chlorine in PDB 8pox: Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.

Enzymatic activity of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.

All present enzymatic activity of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution., PDB code: 8pox was solved by J.Kalms, A.Schmidt, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.78 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.208, 95.688, 119.84, 90, 90, 90
R / Rfree (%) 12.7 / 15.6

Other elements in 8pox:

The structure of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Nickel (Ni) 1 atom
Iron (Fe) 16 atoms
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. (pdb code 8pox). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution., PDB code: 8pox:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8pox

Go back to Chlorine Binding Sites List in 8pox
Chlorine binding site 1 out of 2 in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:29.1
occ:0.80
 CL S:CL1005 0.0 29.1 0.8
CL S:CL1005 1.7 19.5 0.2
N S:CYS120 3.2 18.2 1.0
N S:GLY256 3.3 20.5 1.0
O S:HOH1173 3.3 22.4 1.0
CA S:CYS120 3.4 17.0 1.0
CB S:TRP118 3.6 22.0 1.0
O S:GLU254 3.9 20.4 1.0
CD1 S:PHE257 3.9 19.4 1.0
CA S:GLY256 3.9 22.1 1.0
N S:PHE257 4.1 19.6 1.0
CE1 S:PHE257 4.2 19.1 1.0
C S:ASP255 4.2 21.4 1.0
C S:CYS120 4.3 17.3 1.0
CD1 S:TRP258 4.4 17.7 1.0
CA S:ASP255 4.4 21.4 1.0
C S:GLY119 4.4 18.1 1.0
CB S:CYS120 4.4 17.9 1.0
N S:GLY119 4.4 20.0 1.0
CG S:TRP118 4.4 25.3 1.0
C S:TRP118 4.5 20.0 1.0
O S:CYS120 4.5 16.6 1.0
C S:GLY256 4.5 20.5 1.0
O S:SER114 4.5 19.4 1.0
CD1 S:TRP118 4.5 25.7 1.0
CB S:SER114 4.6 16.9 1.0
NE1 S:TRP258 4.6 18.1 1.0
O S:HOH1244 4.7 25.4 1.0
CA S:TRP118 4.7 19.9 1.0
OD1 S:ASP255 4.7 25.2 1.0
CA S:GLY119 4.8 18.9 1.0
O S:TRP118 4.8 22.4 1.0
C S:GLU254 4.8 19.1 1.0
SG S:CYS120 5.0 18.0 1.0
CG S:PHE257 5.0 18.8 1.0

Chlorine binding site 2 out of 2 in 8pox

Go back to Chlorine Binding Sites List in 8pox
Chlorine binding site 2 out of 2 in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:19.5
occ:0.20
 CL S:CL1005 0.0 19.5 0.2
CL S:CL1005 1.7 29.1 0.8
O S:HOH1173 2.7 22.4 1.0
N S:GLY256 2.9 20.5 1.0
N S:CYS120 3.4 18.2 1.0
CB S:TRP118 3.4 22.0 1.0
CA S:GLY256 3.5 22.1 1.0
OD1 S:ASP255 3.7 25.2 1.0
O S:TRP118 3.7 22.4 1.0
O S:HOH1258 3.7 36.5 1.0
C S:TRP118 3.7 20.0 1.0
O S:HOH1210 3.9 35.4 1.0
N S:GLY119 4.0 20.0 1.0
C S:ASP255 4.0 21.4 1.0
CA S:CYS120 4.1 17.0 1.0
CA S:GLY119 4.2 18.9 1.0
C S:GLY119 4.2 18.1 1.0
CA S:TRP118 4.3 19.9 1.0
CA S:ASP255 4.3 21.4 1.0
O S:HOH1244 4.3 25.4 1.0
O S:HOH1221 4.3 40.2 1.0
C S:GLY256 4.5 20.5 1.0
CG S:TRP118 4.5 25.3 1.0
O S:CYS120 4.5 16.6 1.0
N S:PHE257 4.6 19.6 1.0
CG S:ASP255 4.7 25.9 1.0
C S:CYS120 4.8 17.3 1.0
O S:GLU254 4.8 20.4 1.0
O S:HOH1180 4.8 27.5 1.0

Reference:

A.Schmidt, J.Kalms, C.Lorent, S.Katz, S.Frielingsdorf, R.M.Evans, J.Fritsch, E.Siebert, C.Teutloff, F.A.Armstrong, I.Zebger, O.Lenz, P.Scheerer. Stepwise Conversion of the Cys 6 [4FE-3S] to A Cys 4 [4FE-4S] Cluster and Its Impact on the Oxygen Tolerance of [Nife]-Hydrogenase. Chem Sci V. 14 11105 2023.
ISSN: ISSN 2041-6520
PubMed: 37860641
DOI: 10.1039/D3SC03739H
Page generated: Sat Sep 28 19:26:28 2024

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